7-imino-2,2-dimethyl-8-(2-methylpropyl)-6-nitroso-3H-imidazo[1,2-a]pyrimidin-5-one

C12H19N5O2 — CID 57173555

IUPAC7-imino-2,2-dimethyl-8-(2-methylpropyl)-6-nitroso-3H-imidazo[1,2-a]pyrimidin-5-one
SMILES[H]/N=C1\C(N=O)C(=O)N2CC(C)(C)N=C2N1CC(C)C
InChIInChI=1S/C12H19N5O2/c1-7(2)5-16-9(13)8(15-19)10(18)17-6-12(3,4)14-11(16)17/h7-8,13H,5-6H2,1-4H3/b13-9+
InChIKeySFQNGPFOQFRELK-UKTHLTGXSA-N
MW265.32 g/mol
LogP1.05
Rot. Bonds3

About 7-imino-2,2-dimethyl-8-(2-methylpropyl)-6-nitroso-3H-imidazo[1,2-a]pyrimidin-5-one

7-imino-2,2-dimethyl-8-(2-methylpropyl)-6-nitroso-3H-imidazo[1,2-a]pyrimidin-5-one (PubChem CID 57173555) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 7-imino-2,2-dimethyl-8-(2-methylpropyl)-6-nitroso-3H-imidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-imino-2,2-dimethyl-8-(2-methylpropyl)-6-nitroso-3H-imidazo[1,2-a]pyrimidin-5-one
PubChem CID57173555
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name7-imino-2,2-dimethyl-8-(2-methylpropyl)-6-nitroso-3H-imidazo[1,2-a]pyrimidin-5-one
SMILES[H]/N=C1\C(N=O)C(=O)N2CC(C)(C)N=C2N1CC(C)C
InChIInChI=1S/C12H19N5O2/c1-7(2)5-16-9(13)8(15-19)10(18)17-6-12(3,4)14-11(16)17/h7-8,13H,5-6H2,1-4H3/b13-9+
InChIKeySFQNGPFOQFRELK-UKTHLTGXSA-N
XLogP1.05
TPSA89.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-Isobutyl-5-methylxanthine
CID 129777890
7-Imino-8-(2-methylpropyl)-6-nitroso-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one
CID 54095312
7-Imino-8-(2-methylpropyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one
CID 54462037
7-Amino-2,3-dihydro-2,2-dimethyl-8-(2-methylpropyl)-6-nitrosoimidazo[1,2-a]pyrimidin-5(8H)-one
CID 136359193
7-AMINO-2,3-DIHYDRO-8-(2-METHYLPROPYL)-6-NITROSOIMIDAZO[1,2-a]PYRIMIDIN-5(8H)-ONE
CID 136399303
1,3,7-Trimethyl-8-propan-2-yl-4,5-dihydropurine-2,6-dione
CID 153137216
1,7-dimethyl-3-(2-methylpropyl)-5H-purin-7-ium-2,6-dione
CID 73096856
1,3-dimethyl-7-(2-methylpropyl)-8-(propylamino)-5H-purin-7-ium-2,6-dione
CID 73327304
1,3-dimethyl-7-(2-methylpropyl)-8-(propan-2-ylamino)-5H-purin-7-ium-2,6-dione
CID 73327305
1,3-dimethyl-7-(2-methylpropyl)-8-(2-methylpropylamino)-5H-purin-7-ium-2,6-dione
CID 73327306
1,3-dimethyl-8-(methylamino)-7-(2-methylpropyl)-5H-purin-7-ium-2,6-dione
CID 73328330
[1,3-dimethyl-7-(2-methylpropyl)-2,6-dioxo-5H-purin-8-ylidene]-dimethylazanium
CID 73328331

Frequently Asked Questions

What is the IUPAC name of 7-imino-2,2-dimethyl-8-(2-methylpropyl)-6-nitroso-3H-imidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 7-imino-2,2-dimethyl-8-(2-methylpropyl)-6-nitroso-3H-imidazo[1,2-a]pyrimidin-5-one (CID 57173555) is 7-imino-2,2-dimethyl-8-(2-methylpropyl)-6-nitroso-3H-imidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-imino-2,2-dimethyl-8-(2-methylpropyl)-6-nitroso-3H-imidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 7-imino-2,2-dimethyl-8-(2-methylpropyl)-6-nitroso-3H-imidazo[1,2-a]pyrimidin-5-one is [H]/N=C1\C(N=O)C(=O)N2CC(C)(C)N=C2N1CC(C)C.
What is the InChIKey of 7-imino-2,2-dimethyl-8-(2-methylpropyl)-6-nitroso-3H-imidazo[1,2-a]pyrimidin-5-one?
The InChIKey is SFQNGPFOQFRELK-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-7(2)5-16-9(13)8(15-19)10(18)17-6-12(3,4)14-11(16)17/h7-8,13H,5-6H2,1-4H3/b13-9+.
What are the key properties of 7-imino-2,2-dimethyl-8-(2-methylpropyl)-6-nitroso-3H-imidazo[1,2-a]pyrimidin-5-one?
7-imino-2,2-dimethyl-8-(2-methylpropyl)-6-nitroso-3H-imidazo[1,2-a]pyrimidin-5-one has a molecular weight of 265.32 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-imino-2,2-dimethyl-8-(2-methylpropyl)-6-nitroso-3H-imidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 57173555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).